CID 173187926

C₁₈H₂₅Cl₂NOSiZr — CID 173187926

About CID 173187926

CID 173187926 (PubChem CID 173187926) has the molecular formula C₁₈H₂₅Cl₂NOSiZr and a molecular weight of 461.62 g/mol.

Molecular Properties

• Compound Name: CID 173187926
• PubChem CID: 173187926
• Molecular Formula: C₁₈H₂₅Cl₂NOSiZr
• Molecular Weight: 461.62 g/mol
• Exact Mass: 459.01
• IUPAC Name: —
• SMILES: C[Si]C.[Cl-].[Cl-].[NH-]C(=O)C1CCCCC1.[Zr+4].c1ccc2[cH-]ccc2c1
• InChI: InChI=1S/C9H7.C7H13NO.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;8-7(9)6-4-2-1-3-5-6;1-3-2;;;/h1-7H;6H,1-5H2,(H2,8,9);1-2H3;2*1H;/q-1;;;;;+4/p-3
• InChIKey: GDRMWUHURVAOTF-UHFFFAOYSA-K
• XLogP: -0.50
• TPSA: 40.87 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.62
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 173187926?

The IUPAC name of CID 173187926 (CID 173187926) is not available.

What is the SMILES notation for CID 173187926?

The canonical SMILES for CID 173187926 is C[Si]C.[Cl-].[Cl-].[NH-]C(=O)C1CCCCC1.[Zr+4].c1ccc2[cH-]ccc2c1.

What is the InChIKey of CID 173187926?

The InChIKey is GDRMWUHURVAOTF-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H7.C7H13NO.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;8-7(9)6-4-2-1-3-5-6;1-3-2;;;/h1-7H;6H,1-5H2,(H2,8,9);1-2H3;2*1H;/q-1;;;;;+4/p-3.

What are the key properties of CID 173187926?

CID 173187926 has a molecular weight of 461.62 g/mol, XLogP of -0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for CID 173187926 is sourced from PubChem (CID 173187926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173187926 — identifiers, structure, computed properties (public domain)

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